diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride

C23H26ClNO4 — CID 18970

IUPACdiethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride
SMILESCC[NH+](CC)CCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.[Cl-]
InChIInChI=1S/C23H25NO4.ClH/c1-4-24(5-2)14-15-27-23(26)19-13-9-12-18-20(25)16(3)21(28-22(18)19)17-10-7-6-8-11-17;/h6-13H,4-5,14-15H2,1-3H3;1H
InChIKeyBVFKIUOZOWYVNL-UHFFFAOYSA-N
MW415.92 g/mol
LogP-0.15
Rot. Bonds7

About diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride

diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride (PubChem CID 18970) has the molecular formula C23H26ClNO4 and a molecular weight of 415.92 g/mol. Its IUPAC name is diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride
PubChem CID18970
Molecular FormulaC23H26ClNO4
Molecular Weight415.92 g/mol
Exact Mass415.16
IUPAC Namediethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride
SMILESCC[NH+](CC)CCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.[Cl-]
InChIInChI=1S/C23H25NO4.ClH/c1-4-24(5-2)14-15-27-23(26)19-13-9-12-18-20(25)16(3)21(28-22(18)19)17-10-7-6-8-11-17;/h6-13H,4-5,14-15H2,1-3H3;1H
InChIKeyBVFKIUOZOWYVNL-UHFFFAOYSA-N
XLogP-0.15
TPSA60.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride?
The IUPAC name of diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride (CID 18970) is diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride.
What is the SMILES notation for diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride?
The canonical SMILES for diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride is CC[NH+](CC)CCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.[Cl-].
What is the InChIKey of diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride?
The InChIKey is BVFKIUOZOWYVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4.ClH/c1-4-24(5-2)14-15-27-23(26)19-13-9-12-18-20(25)16(3)21(28-22(18)19)17-10-7-6-8-11-17;/h6-13H,4-5,14-15H2,1-3H3;1H.
What are the key properties of diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride?
diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride has a molecular weight of 415.92 g/mol, XLogP of -0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride is sourced from PubChem (CID 18970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).